N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide

C15H33N5O — CID 62884866

IUPACN-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCN(C)CCN1CCN(CCC(=O)N(C)CCCN)CC1
InChIInChI=1S/C15H33N5O/c1-17(2)9-10-20-13-11-19(12-14-20)8-5-15(21)18(3)7-4-6-16/h4-14,16H2,1-3H3
InChIKeyPLLHRIMNGQNDTC-UHFFFAOYSA-N
MW299.46 g/mol
LogP-0.64
Rot. Bonds9

About N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide

N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 62884866) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID62884866
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC NameN-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
SMILESCN(C)CCN1CCN(CCC(=O)N(C)CCCN)CC1
InChIInChI=1S/C15H33N5O/c1-17(2)9-10-20-13-11-19(12-14-20)8-5-15(21)18(3)7-4-6-16/h4-14,16H2,1-3H3
InChIKeyPLLHRIMNGQNDTC-UHFFFAOYSA-N
XLogP-0.64
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 109017680
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
CID 62888089
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361622
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide
CID 61430198
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103194926

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide (CID 62884866) is N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide is CN(C)CCN1CCN(CCC(=O)N(C)CCCN)CC1.
What is the InChIKey of N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is PLLHRIMNGQNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O/c1-17(2)9-10-20-13-11-19(12-14-20)8-5-15(21)18(3)7-4-6-16/h4-14,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide?
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 299.46 g/mol, XLogP of -0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 62884866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).